4-[(4-Aminophenyl)sulfonyl]piperazine-2,6-dione
Basic information
- CAS
175136-48-8- Standard SMILES
Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1- InChIKey
FLFBAOVWRTUPPW-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4S
- Average molar mass
- 269.28 g/mol
- Monoisotopic mass
- 269.04702701
Names & identifiers
- Preferred name
- 4-[(4-Aminophenyl)sulfonyl]piperazine-2,6-dione
- IUPAC
- 4-(4-aminophenyl)sulfonylpiperazine-2,6-dione
- English name
- 4-[(4-AMINOPHENYL)SULFONYL]PIPERAZINE-2,6-DIONE
- Molecular formula
- C10H11N3O4S
- Molecular weight
- 269.28
Names & synonyms
175136-48-84-[(4-aminophenyl)sulfonyl]piperazine-2,6-dione4-(4-aminophenyl)sulfonylpiperazine-2,6-dione4-((4-Aminophenyl)sulfonyl)piperazine-2,6-dione2,6-Piperazinedione, 4-[(4-aminophenyl)sulfonyl]-HMS1584G08Oprea1_112805Oprea1_586762SCHEMBL7866834CHEMBL4447432DTXSID60343960FLFBAOVWRTUPPW-UHFFFAOYSA-N
Show more names
4-(4-AMINOBENZENESULFONYL)PIPERAZIN-2,6-DIONE4-[(4-Aminophenyl)sulphonyl]piperazine-2,6-dione
AKOS0006462834-(4-Aminobenzene-1-sulfonyl)piperazine-2,6-dione4-[(4-Aminophenyl)sulfonyl]-2,6-piperazinedione #Piperazine-2,5-dione, 4-(4-aminophenylsulfonyl)-
Database identifiers
- CAS
175136-48-8- PubChem CID
- 593501
- DTXSID
DTXSID60343960- ChEMBL
CHEMBL4447432
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.20(Predicted)
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Compound notes
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